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2-Allyl-3-hydroxybenzaldehyde

CAT: 0127-OR21984-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR21984-01Size:100 mg
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CAS Number
79950-42-8
Synonyms
3-Hydroxy-2- (prop-2-en-1-yl) benzaldehyde, 2-Allyl-3-formylphenol
MDL Number
MFCD00100646
Purity
=95%
Smiles
Oc1cccc(C=O)c1CC=C

Chemical Information

2-Allyl-3-hydroxybenzaldehyde
CAS Number79950-42-8
PubChem CID2775156
IUPAC Name3-hydroxy-2-prop-2-enylbenzaldehyde
Molecular FormulaC10H10O2
Molecular Weight162.18
XLogP2.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity165
SMILES
C=CCC1=C(C=CC=C1O)C=O
InChI
InChI=1S/C10H10O2/c1-2-4-9-8(7-11)5-3-6-10(9)12/h2-3,5-7,12H,1,4H2
InChIKey
QVHRAGBOMUXWRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Allyl-3-hydroxybenzaldehyde
CAS: 79950-42-8
CID: 2775156
Formula: C10H10O2
MW: 162.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.18
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass162.068079557
Monoisotopic Mass162.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
79950-42-82-ALLYL-3-HYDROXYBENZALDEHYDE
MBS6098861-013-Allyl Salicylaldehyde (3-Allyl-2-Hydroxybenzaldehyde)
RBA05288-013-Allyl-4-hydroxybenzaldehyde
YCA28991-013-Ethyl-2-hydroxybenzaldehyde
JH9129302-Bromo-3-hydroxybenzaldehyde
sc-2259593-Bromo-2-hydroxybenzaldehyde
LDA73459-013- (Benzyloxy) -2-hydroxybenzaldehyde
FF04948-013-Fluoro-2-hydroxybenzaldehyde
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